(4-cyanophenyl)methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (4-cyanophenyl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (4-cyanobenzyl) ester Formula: C16H11NO4 MolecularWeight: 281.26284

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11NO4/c17-8-11-1-3-12(4-2-11)9-19-16(18)13-5-6-14-15(7-13)21-10-20-14/h1-7H,9-10H2